DSSR-derived G-quadruplex features in PDB entry 2mft
- Solution NMR structure of the d(gggttttgggtgggttttggg) quadruplex in sodium conditions
- Karsisiotis, A.I., Webba da Silva, M.: "Solution NMR structure of the d(GGGTTTTGGGTGGGTTTTGGG) quadruplex in sodium conditions." To be published
- G4 notes
- 3 G-tetrads, 1 G4 helix, 1 G4 stem · 3(D+PD), (2+2), UDDU
1 glyco-bond=s--s groove=w-n- planarity=0.183 type=other nts=4 GGGG A.DG1,A.DG14,A.DG10,A.DG19 2 glyco-bond=-ss- groove=w-n- planarity=0.123 type=planar nts=4 GGGG A.DG2,A.DG13,A.DG9,A.DG20 3 glyco-bond=-ss- groove=w-n- planarity=0.208 type=other nts=4 GGGG A.DG3,A.DG12,A.DG8,A.DG21
In DSSR, a G4-helix is defined by stacking interactions of G-tetrads, regardless of backbone connectivity, and may contain more than one G4-stem.
Helix#1, 3 G-tetrad layers, INTRA-molecular, with 1 stem
In DSSR, a G4-stem is defined as a G4-helix with backbone connectivity. Bulges are also allowed along each of the four strands.